3-(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrazin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester (HCID 53995574)

기본 정보

표준 SMILES: COC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2cn(C)cn2)c1
InChIKey: KHWGSTWDDOFQMI-UHFFFAOYSA-N
분자식: C26H27N5O4S
평균 분자량: 505.6 g/mol

이름 및 식별자

우선 이름: 3-(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrazin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester
IUPAC: methyl 3-[3-[[(1-methylimidazol-4-yl)sulfonyl-[(4-pyrazin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoate

이름 및 동의어

SCHEMBL5049365KHWGSTWDDOFQMI-UHFFFAOYSA-N3-(3-{[(1-Methyl-1 H-imidazole-4-sulfonyl)-(4-pyrazin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester3-(3-{[(1-Methyl-1H-imidazole-4-sulfonyl)-(4-pyrazin-2-yl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester

데이터베이스 식별자

PubChem CID: 53995574

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 116 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 36
형식 전하: 0
복잡도: 799

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